Basic information
- CAS
14182-37-7- Standard SMILES
O=C(O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1- InChIKey
BMZNTPXQZKYUKD-UHFFFAOYSA-N- Molecular formula
- C15H10N2O4
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.0640568
Names & identifiers
- Preferred name
- 5-Nitro-3-phenyl-1H-indole-2-carboxylic acid
- IUPAC
- 5-nitro-3-phenyl-1H-indole-2-carboxylic acid
- English name
- 5-Nitro-3-phenyl-1H-indole-2-carboxylic acid
- Molecular formula
- C15H10N2O4
- Molecular weight
- 282.25
Names & synonyms
5-Nitro-3-phenyl-1H-indole-2-carboxylic acid14182-37-7DTXSID10351459RefChem:304424DTXCID90302525MFCD000545401H-Indole-2-carboxylicacid, 5-nitro-3-phenyl-Maybridge1_0064115-NITRO-3-PHENYL-1H-INDOLE-2-CARBOXYLICACIDOprea1_356835MLS000778200SCHEMBL3944802
Show more names
2-Carboxy-5-nitro-3-phenyl-1H-indole5-NITRO-3-PHENYLINDOLE-2-CARBOXYLIC ACID1H-Indole-2-carboxylic acid, 5-nitro-3-phenyl-
CHEMBL1613566HMS559L09HMS2749I24STK551820AKOS005478971CCG-247915PS-10382SMR000414884
Database identifiers
- CAS
14182-37-7- PubChem CID
- 700784
- DTXSID
DTXSID10351459- ChEMBL
CHEMBL1613566- Nikkaji
- J136.588F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
Solubility>42.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 290 · 290(dec.)
- Boiling point
- 553.4 · 553.4±50.0 °C(Predicted)
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- pka
- 3.35 · 3.35±0.30(Predicted)
- form
- solid
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Suppliers11 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
苏州宸瑞生物科技有限公司17625585511 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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